Drug Information

Drug ID:  NPD9745
Drug Name:  Ferrous Carbonate
Molecular Formula:  CH2O3.Fe
Canonical SMILES:  [O-]C(=O)[O-].[Fe+2]
Standard InCHI:  InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
Standard InCHIKey:  RAQDACVRFCEPDA-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9745

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.75 NPC327795

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PubChem CID  
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Drug Properties

Molecular Weight  59.98
ALogP  -1.1933
MLogP  1.24
XLogP  -1.192
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  63.19
RO5 Violation  0